Thanks dear Ross.
Alan
On Fri, Jun 5, 2009 at 15:13, Ross Walker <ross.rosswalker.co.uk> wrote:
> Hi Alan,
>
> > Building improper torsion parameters.
> > ** Warning: No sp2 improper torsion term for C*-CN-CB-CA
> > atoms are: CG CE2 CD2 CE3
> > ** Warning: No sp2 improper torsion term for NA-CA-CN-CB
> > atoms are: NE1 CZ2 CE2 CD2
>
> This is just warning you that atoms CG and NE1 are sp2 but do not have an
> improper torsion on them to keep them planar. This is not necessarily wrong,
> not all sp2 type atoms have to have improper terms since other factors, such
> as angles etc will act to keep them planar. Leap just thinks that because
> the atom is sp2 it should have an improper term. In short it is just a
> warning and there is no need to worry about it.
>
> All the best
> Ross
>
>
> /\
> \/
> |\oss Walker
>
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> | http://www.rosswalker.co.uk | PGP Key available on request |
>
> Note: Electronic Mail is not secure, has no guarantee of delivery, may not
> be read every day, and should not be used for urgent or sensitive issues.
>
>
>
>
>
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--
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<
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Received on Tue Jun 09 2009 - 01:10:56 PDT
